1-(4-bromophenyl)-8-nitroso-2,4-diphenyl-6,7-dihydro-5H-quinoline
Formula:C27H21N2OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-(4-bromophenyl)-8-nitroso-2,4-diphenyl-6,7-dihydro-5H-quinoline is not a drug-like molecule.
| MolName | 1-(4-bromophenyl)-8-nitroso-2,4-diphenyl-6,7-dihydro-5H-quinoline |
| MolecularFormula | C27H21N2OBr |
| Smiles | O=NC1=C2N(c(cc3)ccc3Br)C(c3ccccc3)=CC(c3ccccc3)=C2CCC1 |
| InChI | InChI=1S/C27H21BrN2O/c28-21-14-16-22(17-15-21)30-26(20-10-5-2-6-11-20)18-24(19-8-3-1-4-9-19)23-12-7-13-25(29-31)27(23)30/h1-6,8-11,14-18H,7,12-13H2 |
| InChIK | VVOJZUPLDRTICA-UHFFFAOYSA-N |
| TotalMolweight | 469.381 |
| Molweight | 469.381 |
| MonoisotopicMass | 468.083724 |
| CLogP | 6.3566 |
| CLogS | -6.781 |
| H Acceptors | 3 |
| TotalSurfaceArea | 324.34 |
| Relative PSA | 0.086637 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -4.0718 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.41935 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 1-(4-bromophenyl)-8-nitroso-2,4-diphenyl-6,7-dihydro-5H-quinoline | 2 - 1-(4-bromophenyl)-8-nitroso-2,4-diphenyl-6,7-dihydro-5H-quinoline
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